SCHEMBL2211544

SCHEMBL2211544

CSCCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
AAK1 Q2M2I8 1/20 0.38
LPL P06858 9/20 0.36
LIPG Q9Y5X9 9/20 0.36
EGFR P00533 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HIF1A Q16665 2/20 0.33
DGAT1 O75907 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14036018 0.84 LPL (0.48) AAK1LPLLIPGEGFRMEN1
SCHEMBL21358661 0.83 AAK1 (0.39) AAK1LPLLIPGEGFRMEN1
SCHEMBL2415783 0.82 LPL (0.44) AAK1LPLLIPGEGFRALDH1A1
SCHEMBL23363649 0.81 AAK1 (0.48) AAK1LPLLIPGEGFRHIF1A
SCHEMBL29899181 0.81 AAK1 (0.48) AAK1LPLLIPGEGFRHIF1A
SCHEMBL15969034 0.80 AAK1 (0.40) AAK1LPLLIPGEGFRHIF1A
SCHEMBL6827302 0.77 LPL (0.43) LPLLIPGMAPK1HIF1ADGAT1
SCHEMBL858457 0.77 CSF1R (0.45) AAK1LPLLIPGEGFRCA1
SCHEMBL22816088 0.76 HTR2C (0.38) HTR2CAAK1LPLLIPGEGFR
SCHEMBL544572 0.76 DGAT1 (0.51) AAK1LPLLIPGEGFRMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 US disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 HTR2C 3561/4885AAK1 118/4885LPL 4500/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 HTR2C 3561/4885AAK1 118/4885LPL 4500/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 HTR2C 3561/4885AAK1 118/4885LPL 4500/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 HTR2C 3561/4885AAK1 118/4885LPL 4500/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.